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MolNFT v1 · #25497 · protein + DNA

Co-crystal structure of the hnf-3/FORK head DNA-recognition motif resembles histone H5

1VTN · DNA (5'-D(*GP*AP*CP*TP*AP*AP*GP*TP*CP*AP*AP*CP*C)-3'): “Co-crystal structure of the hnf-3/FORK head DNA-recognition motif resembles histone H5”. X-ray diffraction, 1 ligand (MG), 3 pockets (best druggability 0.47). MolNFT v1 #25497…

PDB
1VTN
Type
protein + DNA
Length
128 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (5'-D(*GP*AP*CP*TP*AP*AP*GP*TP*CP*AP*AP*CP*C)-3'); DNA…
UniProt
P55318
Ligands
MG
Pockets
3 · best druggability 0.47

Structure

x-ray diffraction · 3 distinct chains · 41% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA (5'-D(*GP*AP*CP*TP*AP*AP*GP*TP*CP*AP*AP*CP*C)-3')dna13——
BDNA (5'-D(*GP*GP*TP*TP*GP*AP*CP*TP*TP*AP*GP*TP*C)-3')dna13——
CHnf-3/FORK head DNA-recognition motifprotein10241% helix, 9% strandP55318

Ligands and binding sites

  • MG · Magnesium ion · metal · chains C

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11040.470.8015empty
2510.450.8518empty
3630.280.7411empty

Interfaces

3 interfaces between chains.

  • A–C · 618 Ų buried · 15 hydrogen bonds · protein-nucleic
  • A–B · 569 Ų buried · 65 hydrogen bonds · nucleic-nucleic
  • B–C · 539 Ų buried · 7 hydrogen bonds · protein-nucleic

Compared structures

  • 1VTN · Co-crystal structure of the hnf-3/FORK head DNA-recognition motif resembles histone H5 · the same entry in another collection · chain A against A, TM-score 1.00
  • P55318 · AlphaFold monomer V2.0 prediction for hepatocyte nuclear factor 3-gamma (P55318) · a predicted model of the same protein · chain C against A, TM-score 0.91

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